Project name: 38565567d253036

Status: done

Started: 2026-05-06 20:05:55
Settings
Chain sequence(s) A: NVPLSNCSVDPPNERHPPAYESAFKYKLPIVHPIKVAT
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)
Show buried residues

Minimal score value
-4.0207
Maximal score value
1.9594
Average score
-0.1972
Total score value
-7.4942

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 N A -0.4652
2 V A 1.2539
3 P A 0.7218
4 L A 1.7853
5 S A 0.6696
6 N A -0.2053
7 C A 0.7220
8 S A 0.1984
9 V A 0.1686
10 D A -2.2891
11 P A -2.1525
12 P A -2.5738
13 N A -3.3810
14 E A -4.0200
15 R A -4.0207
16 H A -2.9949
17 P A -2.0339
18 P A -1.4669
19 A A -0.7982
20 Y A 0.3184
21 E A -1.0662
22 S A -0.3126
23 A A 0.3955
24 F A 1.5061
25 K A 0.1004
26 Y A 0.8962
27 K A 0.3810
28 L A 1.0105
29 P A 0.7127
30 I A 1.7067
31 V A 1.2226
32 H A 0.3547
33 P A 1.0117
34 I A 1.9594
35 K A 0.3304
36 V A 1.4651
37 A A 1.0110
38 T A 0.3841
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Laboratory of Theory of Biopolymers 2018